5-bromanyl-2-(3-methylbutoxy)-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(m-toluoylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)9-10-28-18-8-7-16(22)12-17(18)20(27)23-21(29)25-24-19(26)15-6-4-5-14(3)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,24,26)(H2,23,25,27,29)